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@ARTICLE{Cong:128024,
      author       = {Cong, Xiaojing and Bongarzone, Salvatore and Giachin,
                      Gabriele and Rossetti, Giulia and Carloni, Paolo and
                      Legname, Giuseppe},
      title        = {{D}ominant-negative effects in prion diseases: insights
                      from molecular dynamics simulations on mouse prion protein
                      chimeras},
      journal      = {Journal of biomolecular structure $\&$ dynamics: JBSD},
      volume       = {31},
      number       = {8},
      address      = {Abingdon, Oxon},
      publisher    = {Taylor $\&$ Francis},
      reportid     = {FZJ-2012-00920},
      pages        = {829-840},
      year         = {2013},
      abstract     = {Mutations in the prion protein (PrP) can cause spontaneous
                      prion diseases in humans (Hu) and animals. In transgenic
                      mice, mutations can determine the susceptibility to the
                      infection of different prion strains. Some of these
                      mutations also show a dominant-negative effect, thus halting
                      the replication process by which wild type mouse (Mo) PrP is
                      converted into Mo scrapie. Using all-atom molecular dynamics
                      (MD) simulations, here we studied the structure of HuPrP,
                      MoPrP, 10 Hu/MoPrP chimeras, and 1 Mo/sheepPrP chimera in
                      explicit solvent. Overall, 2 μs of MD were collected. Our
                      findings suggest that the interactions between α1 helix and
                      N-terminal of α3 helix are critical in prion propagation,
                      whereas the β2–α2 loop conformation plays a role in the
                      dominant-negative effect.},
      cin          = {JSC / IAS-5},
      ddc          = {570},
      cid          = {I:(DE-Juel1)JSC-20090406 / I:(DE-Juel1)IAS-5-20120330},
      pnm          = {411 - Computational Science and Mathematical Methods
                      (POF2-411)},
      pid          = {G:(DE-HGF)POF2-411},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000321732100003},
      pubmed       = {pmid:22934595},
      doi          = {10.1080/07391102.2012.712477},
      url          = {https://juser.fz-juelich.de/record/128024},
}